ginsenoside Rg2

Properties Image MNX_ID MNXM126056 reference chebi:77151 formula C42H72O13 global charge 0 mol weight 785.025 InChIKey AGBCLJAHARWNLA-DQUQINEDSA-N InChI InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1 SMILES CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C MNX internals InChI (mnx) InChI=1/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1 SMILES (mnx) [CH3:1][C:20]([CH3:2])=[CH:11][CH2:10][CH2:14][C@@:42]([CH3:9])([C@H:22]1[CH2:12][CH2:16][C@:40]2([CH3:7])[C@@H:28]1[C@H:23]([OH:44])[CH2:17][C@@H:26]1[C@@:39]3([CH3:6])[CH2:15][CH2:13][C@H:27]([OH:45])[C:38]([CH3:4])([CH3:5])[C@@H:35]3[C@@H:24]([O:53][C@H:37]3[C@H:34]([O:55][C@H:36]4[C@H:33]([OH:50])[C@H:31]([OH:48])[C@@H:29]([OH:46])[C@H:21]([CH3:3])[O:52]4)[C@@H:32]([OH:49])[C@H:30]([OH:47])[C@@H:25]([CH2:19][OH:43])[O:54]3)[CH2:18][C@:41]12[CH3:8])[OH:51]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0